Project name: obj1 [mutate: TG114C, LF115C, TS117C, VT116C, GP111C]

Chain sequence(s)	C: EVQLVESGGGLVQPGGSLRLSCAASDFTFRSYEMSWVRQAPGKGLEWVSAISGSGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAIYYCARLRDGFNKGFDYWGQGTLVTVSS
Selected Chain(s)	C
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	TS117C,VT116C,LF115C,TG114C,GP111C
Energy difference between WT (input) and mutated protein (by FoldX)	19.0944 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with C chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       FoldX:    Building mutant model                                                       (00:00:25)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:40)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:04)

• Minimal score value: -3.3296
• Maximal score value: 2.0886
• Average score: -0.6312
• Total score value: -75.739

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
1	E	C	-2.0213
2	V	C	-0.9467
3	Q	C	-1.1205
4	L	C	0.0000
5	V	C	1.1269
6	E	C	0.4905
7	S	C	-0.3087
8	G	C	-0.9035
9	G	C	0.0416
10	G	C	0.9491
11	L	C	1.4479
12	V	C	-0.0982
13	Q	C	-1.3720
14	P	C	-1.5072
15	G	C	-1.4193
16	G	C	-0.9731
17	S	C	-1.1951
18	L	C	-0.9236
19	R	C	-2.1409
20	L	C	0.0000
21	S	C	-0.4951
22	C	C	0.0000
23	A	C	0.0071
24	A	C	0.0000
25	S	C	-0.1172
26	D	C	0.0000
27	F	C	1.5453
28	T	C	0.2511
29	F	C	0.0000
30	R	C	-2.0325
31	S	C	-0.8863
32	Y	C	-1.2160
33	E	C	-1.1424
34	M	C	0.0000
35	S	C	0.0000
36	W	C	0.0000
37	V	C	0.0000
38	R	C	0.0000
39	Q	C	-0.2309
40	A	C	-0.9391
41	P	C	-1.2935
42	G	C	-1.4303
43	K	C	-2.1251
44	G	C	-1.0377
45	L	C	0.4394
46	E	C	-0.3694
47	W	C	0.3507
48	V	C	0.0000
49	S	C	0.0000
50	A	C	0.0000
51	I	C	0.0000
52	S	C	-0.5831
53	G	C	-1.2447
54	S	C	-1.2286
55	G	C	-1.0817
56	G	C	-0.7345
57	S	C	-0.3025
58	T	C	0.1989
59	Y	C	0.6077
60	Y	C	-0.3559
61	A	C	-1.1386
62	D	C	-2.3443
63	S	C	-1.7150
64	V	C	0.0000
65	K	C	-2.3847
66	G	C	-1.6175
67	R	C	0.0000
68	F	C	0.0000
69	T	C	-0.6722
70	I	C	0.0000
71	S	C	-0.5624
72	R	C	-1.3626
73	D	C	-1.9805
74	N	C	-2.1901
75	S	C	-1.7905
76	K	C	-2.3163
77	N	C	-1.6453
78	T	C	0.0000
79	L	C	0.0000
80	Y	C	-0.6849
81	L	C	0.0000
82	Q	C	-1.2115
83	M	C	0.0000
84	N	C	-1.3111
85	S	C	-1.2207
86	L	C	0.0000
87	R	C	-2.4841
88	A	C	-1.9067
89	E	C	-2.3508
90	D	C	0.0000
91	T	C	-0.3830
92	A	C	0.0000
93	I	C	1.2221
94	Y	C	0.0000
95	Y	C	0.7624
96	C	C	0.0000
97	A	C	0.0000
98	R	C	0.0000
99	L	C	0.0000
100	R	C	-3.1825
101	D	C	-3.3296
102	G	C	-2.0833
103	F	C	-1.2274
104	N	C	-2.4248
105	K	C	-3.1791
106	G	C	-1.8943
107	F	C	-0.9674
108	D	C	-1.1039
109	Y	C	-0.2188
110	W	C	0.6162
111	P	C	0.0000	mutated: GP111C
112	Q	C	-0.7358
113	G	C	0.2762
114	G	C	0.7534	mutated: TG114C
115	F	C	2.0886	mutated: LF115C
116	T	C	0.0000	mutated: VT116C
117	S	C	0.3616	mutated: TS117C
118	V	C	0.0000
119	S	C	-0.8052
120	S	C	-1.0742